ChemSpider 2D Image | Methyl 2-oxo-2H-chromen-7-yl beta-D-glucopyranosiduronate | C16H16O9

Methyl 2-oxo-2H-chromen-7-yl β-D-glucopyranosiduronate

  • Molecular FormulaC16H16O9
  • Average mass352.293 Da
  • Monoisotopic mass352.079437 Da
  • ChemSpider ID22913541

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-1-Benzopyran-2-one, 7-[(6-methyl-β-D-glucopyranuronosyl)oxy]- [ACD/Index Name]
Methyl 2-oxo-2H-chromen-7-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
Methyl-2-oxo-2H-chromen-7-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
1176514-11-6 [RN]
1550684-59-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 223.2±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 132 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


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